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PUBCHEM-ZINC03608306

 MMsINC code: MMs03020890
Type: Neutral
Formula: C15H26N2
SMILES:   N(CC(CCCN(C)C)c1ccccc1)(C)C
InChI:   InChI=1/C15H26N2/c1-16(2)12-8-11-15(13-17(3)4)14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.2648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.387 g/mol  logS: -1.49379  SlogP: 2.6736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147142  Sterimol/B1: 2.55878  Sterimol/B2: 4.76592  Sterimol/B3: 4.85804
  Sterimol/B4: 5.00279  Sterimol/L: 14.2724 
 
 Surface and Volume Properties
  Accessible surface: 521.419  Positive charged surface: 439.363  Negative charged surface: 82.0553  Volume: 275.375
  Hydrophobic surface: 518.61  Hydrophilic surface: 2.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03020891
PUBCHEM-ZINC03608306